WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555155
Description: A-953227 is a highly potent and selective inhibitors of calpain. A-953227 features enhanced selectivity versus related cysteine protease cathepsins, favorable microsomal stability, and efficacy in cellular assays. In addition, A-953227 was efficacious in a set of AD related models and had an overall favorable safety profile.
MedKoo Cat#: 555155
Chemical Formula: C25H20FN5O3
Exact Mass: 457.155
Molecular Weight: 457.4654
Elemental Analysis: C, 65.64; H, 4.41; F, 4.15; N, 15.31; O, 10.49
This product is not in stock, which may be available by custom synthesis.
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Related CAS #: 1037826-77-9 1037827-51-2 (S-isomer)
Synonym: A-953227; A 953227; A953227.
IUPAC/Chemical Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-(4-fluorophenyl)-1H-pyrazol-1-yl)-nicotinamide
InChi Key: CJFKGISBMQMNDQ-UHFFFAOYSA-N
InChi Code: InChI=1S/C25H20FN5O3/c26-18-10-8-17(9-11-18)20-12-14-31(30-20)24-19(7-4-13-28-24)25(34)29-21(22(32)23(27)33)15-16-5-2-1-3-6-16/h1-14,21H,15H2,(H2,27,33)(H,29,34)
SMILES Code: O=C(NC(C(C(N)=O)=O)CC1=CC=CC=C1)C2=C(N3N=C(C4=CC=C(F)C=C4)C=C3)N=CC=C2
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 457.4654 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1: Kling A, Jantos K, Mack H, Hornberger W, Drescher K, Nimmrich V, Relo A, Wicke
K, Hutchins CW, Lao Y, Marsh K, Moeller A. Discovery of Novel and Highly
Selective Inhibitors of Calpain for the Treatment of Alzheimer's Disease:
2-(3-Phenyl-1H-pyrazol-1-yl)-nicotinamides. J Med Chem. 2017 Aug
24;60(16):7123-7138. doi: 10.1021/acs.jmedchem.7b00731. Epub 2017 Aug 15. PubMed
2. Mitigating the Metabolic Liability of Carbonyl Reduction: Novel Calpain Inhibitors with P1′ Extension
Andreas Kling, Katja Jantos, Helmut Mack, Wilfried Hornberger, Gisela Backfisch, Yanbin Lao, Marjoleen Nijsen, Beatrice Rendenbach-Mueller, and Achim Moeller
Publication Date (Web): February 4, 2018 (Letter)
Dysregulation of calpains 1 and 2 has been implicated in a variety of pathological disorders including ischemia/reperfusion injuries, kidney diseases, cataract formation, and neurodegenerative diseases such as Alzheimer’s disease (AD).